ChemDiv1_008630
TL;DR: ChemDiv1_008630 (CAS 402947-53-9) is a chemical compound with molecular formula C21H21ClN2O5 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_008630, BAS 02982848, AB00119787-01, 4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0877-0022
| Molecular Formula | C21H21ClN2O5 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 3.8997 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1139 |
| Heavy Atoms | 29 |
| Complexity | 942.5877 |
Chemical Identifiers
| CAS Number | 402947-53-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)CCC(=O)O)OC |
Product Overview
ChemDiv1_008630 (CAS 402947-53-9), with molecular formula C21H21ClN2O5 and molecular weight 416.11 g/mol. IUPAC: 4-[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_008630
Property Insights of ChemDiv1_008630
The XLogP value of 3.8997 indicates that ChemDiv1_008630 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008630. Following Lipinski's Rule of Five, ChemDiv1_008630 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008630?
The CAS number of ChemDiv1_008630 is 402947-53-9.
What is the molecular formula of ChemDiv1_008630?
The molecular formula of ChemDiv1_008630 is C21H21ClN2O5.
What is the molecular weight of ChemDiv1_008630?
The molecular weight of ChemDiv1_008630 is 416.11 g/mol.
Where can I buy ChemDiv1_008630?
You can request a quote for ChemDiv1_008630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008630?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.